4-Acetyl-3-amino-5-methyl-1H-pyrrole-2-carbonitrile CAS 129305-87-9

Purity 97%+In StockPharmaceutical Standards
CAS No.129305-87-9
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Acetyl-3-amino-5-methyl-1H-pyrrole-2-carbonitrile CAS 129305-87-9 chemical structure

Description

The occurrence of 4-Acetyl-3-amino-5-methyl-1H-pyrrole-2-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-Acetyl-3-amino-5-methyl-1H-pyrrole-2-carbonitrile (CAS 129305-87-9), molecular formula C8H9N3O and molecular weight 163.18 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C8H9N3O, 4-Acetyl-3-amino-5-methyl-1H-pyrrole-2-carbonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 163.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
AppearanceOff-white to pale yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1993
Nitrogen Atoms3

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